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PLUMED is an open source library for free energy calculations in
molecular systems which works together with some of the most popular
molecular dynamics engines. Free energy calculations can be
performed as a function of many order parameters with a particular
focus on biological problems, using state of the art methods such as
metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

Recent News

On May 22-27, 2017 we are organizing a PLUMED meeting at the Scuola Internazionale di Studi Avanzati (SISSA), Trieste, Italy. The format will be similar to the meeting held in Belfast, UK, in 2014, that is three days of introductory tutorial followed by a three day user meeting. The tutorial will start on Monday 22 in the morning and end on the afternoon of Wednesday 24. The user meeting will start on the morning of Thursday 25 and end at lunchtime on Saturday 27. More information can be found at this website.

Release 2.2.4 is a maintenance release on the 2.2.x branch with a few bug fixes, see http://goo.gl/2GFaco for a list of changes.

Release 2.3.0 is a release that contains several new features, see: http://goo.gl/iJl9BG for a list of changes. This version can now be considered as fully stable.

We will still fix bugs in branch 2.2.x for a while, but users are encouraged to upgrade to the new2.3.x release. Just read carefully the change log before upgrading, paying attention to the changes that lead to incompatible behavior.

You can find both releases in the download section of the plumed webpage. They are also tagged on github (v2.2.4 and v2.3.0).